3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

C16H26N4O2 — CID 109101925

IUPAC3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-4-5-7-18-15(21)13-10-14(12-17-11-13)16(22)19-8-6-9-20(2)3/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySJSQUUCDXCWROQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.29
Rot. Bonds9

About 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (PubChem CID 109101925) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
PubChem CID109101925
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-4-5-7-18-15(21)13-10-14(12-17-11-13)16(22)19-8-6-9-20(2)3/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySJSQUUCDXCWROQ-UHFFFAOYSA-N
XLogP1.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103724
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (CID 109101925) is 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is SJSQUUCDXCWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-5-7-18-15(21)13-10-14(12-17-11-13)16(22)19-8-6-9-20(2)3/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).